Chemical ID: 4214566

c1ccc(cc1)C(=O)C=Cc2cccc(c2)[N+](=O)[O-]
Chemical ID:
4214566
Name [?]:
3-(3-nitrophenyl)-1-phenyl-prop-2-en-1-one
SMILES [?]:
c1ccc(cc1)C(=O)C=Cc2cccc(c2)[N+](=O)[O-]
InChi [?]:
InChI=1/C15H11NO3/c17-15(13-6-2-1-3-7-13)10-9-12-5-4-8-14(11-12)16(18)19/h1-11H
InChi Info:
AuxInfo=1/0/N:1,2,6,13,12,3,5,14,10,9,16,11,4,15,7,17,8,18,19/E:(2,3)(6,7)(18,19)/CRV:16.5/rA:19nCCCCCCCOCCCCCCCCN+OO-/rB:s1;d2;s3;d4;d1s5;s4;d7;s7;w9;s10;s11;d12;s13;d14;d11s15;s15;d17;s17;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H11NO3
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:4.17462
Area:441.016
Solvation:-6.85077
Coulombic:-23.3796
Bond Count [?]
All:20
Single:11
Double:9
Rotors:4
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:253.253
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:3.62
LogP (Chemaxon):3.97

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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